2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

C18H29NO4 — CID 118257882

IUPAC2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1(C2CCCC2)CCCCC1
InChIInChI=1S/C18H29NO4/c1-14(2)16(20)22-13-12-19-17(21)23-18(10-6-3-7-11-18)15-8-4-5-9-15/h15H,1,3-13H2,2H3,(H,19,21)
InChIKeyPDPSXQSZXLMUDB-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.72
Rot. Bonds6

About 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 118257882) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID118257882
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1(C2CCCC2)CCCCC1
InChIInChI=1S/C18H29NO4/c1-14(2)16(20)22-13-12-19-17(21)23-18(10-6-3-7-11-18)15-8-4-5-9-15/h15H,1,3-13H2,2H3,(H,19,21)
InChIKeyPDPSXQSZXLMUDB-UHFFFAOYSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257839
2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate
CID 139468482
2-[[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]piperidine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 14669980
2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 118257853
(1-cyclohexylcyclopentyl) acetate
CID 12039389
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 101187737
(1-cycloheptyl-4-oxocycloheptyl) 2-methylprop-2-enoate
CID 139903733
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 126547486
(1-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 118257882) is 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OC1(C2CCCC2)CCCCC1.
What is the InChIKey of 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is PDPSXQSZXLMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-14(2)16(20)22-13-12-19-17(21)23-18(10-6-3-7-11-18)15-8-4-5-9-15/h15H,1,3-13H2,2H3,(H,19,21).
What are the key properties of 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 323.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118257882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).